smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
CCCCCCCCCCNc1nc(Nc2ccc(C)cc2)nc(N)[nH+]1	ZINC000001653047	520020044	/nfs/dbraw/zinc/02/00/44/520020044.db2.gz	XJZBUZGUQSOSJK-UHFFFAOYSA-N	1	1	356.518	5.058	40	30		FKEBMO
N=C(Nc1ccccc1)SCCCCCSC(=[NH2+])Nc1ccccc1	ZINC000001667640	263144279	/nfs/dbraw/zinc/14/42/79/263144279.db2.gz	CYFFTDPDDQKUDA-UHFFFAOYSA-N	1	1	372.563	5.316	40	30		FKEBMO
CCCCCCCC[N@H+](Cc1ccccc1)C[C@H](O)c1ccc(Cl)cc1	ZINC000001671564	204016406	/nfs/dbraw/zinc/01/64/06/204016406.db2.gz	YYTIOGCYEJOABV-QHCPKHFHSA-N	1	1	373.968	6.236	40	30		FKEBMO
Cc1ccccc1N=CC1=CC(=[NH+]Nc2cccc3ccccc32)C=CC1=O	ZINC000004557814	570596399	/nfs/dbraw/zinc/59/63/99/570596399.db2.gz	FDQGAJVUVKBHDE-OVFURWPXSA-N	1	1	365.436	7.020	40	30		FKEBMO
Cc1ccc(N=CC2=CC(=[NH+]Nc3cccc4ccccc43)C=CC2=O)cc1	ZINC000005540178	570629863	/nfs/dbraw/zinc/62/98/63/570629863.db2.gz	MHMVMPSQMTUFRX-IIXLPLMRSA-N	1	1	365.436	7.020	40	30		FKEBMO
COc1ccc(NC(=[NH+]c2ccc(C)cc2)c2ccc([N+](=O)[O-])cc2)cc1	ZINC000005588090	571069814	/nfs/dbraw/zinc/06/98/14/571069814.db2.gz	RTFHHOYBXIXBCA-UHFFFAOYSA-N	1	1	361.401	5.102	40	30		FKEBMO
Cc1ccc(N/C(=[NH+]\c2ccc(C)cc2)c2cc3ccccc3cc2O)cc1	ZINC000005588193	571069791	/nfs/dbraw/zinc/06/97/91/571069791.db2.gz	JBBGNFHFBDDWAD-UHFFFAOYSA-N	1	1	366.464	6.353	40	30		FKEBMO
Cc1cccc(N/C(=[NH+]\c2cccc(C)c2)c2cccc3ccccc32)c1	ZINC000005589439	571069852	/nfs/dbraw/zinc/06/98/52/571069852.db2.gz	KXSKAEHCXXSRQL-UHFFFAOYSA-N	1	1	350.465	6.647	40	30		FKEBMO
CCN(Cc1ccccc1)c1ccc(C=[NH+]Nc2cccc(Cl)c2)cc1	ZINC000005609603	521372838	/nfs/dbraw/zinc/37/28/38/521372838.db2.gz	UHCLEXNKNXQFPH-LFVJCYFKSA-N	1	1	363.892	5.813	40	30		FKEBMO
COc1ccc(NC(=[NH+]c2ccncc2)c2cccc3ccccc32)cc1	ZINC000006274999	210087019	/nfs/dbraw/zinc/08/70/19/210087019.db2.gz	WOXRHQWBROXYFC-UHFFFAOYSA-N	1	1	353.425	5.434	40	30		FKEBMO
C(=[NH+]Nc1ccccc1)c1ccc(N(c2ccccc2)c2ccccc2)cc1	ZINC000006276858	207136245	/nfs/dbraw/zinc/13/62/45/207136245.db2.gz	JRERFXZAKKDIEW-LHLOQNFPSA-N	1	1	363.464	6.602	40	30		FKEBMO
Clc1ccc(/[NH+]=C2/c3ccccc3CN2c2ccc(Cl)cc2)cc1	ZINC000013467958	211034365	/nfs/dbraw/zinc/03/43/65/211034365.db2.gz	UDXLICZFPRSKOW-ATJXCDBQSA-N	1	1	353.252	6.092	40	30		FKEBMO
C(=CNc1ccc(-c2ccccc2)cc1)C=[NH+]c1ccc(-c2ccccc2)cc1	ZINC000018252301	570877946	/nfs/dbraw/zinc/87/79/46/570877946.db2.gz	NMTVOLGEUFUEOW-GGUAGVTFSA-N	1	1	374.487	7.349	40	30	in-vivo	FKEBMO
Clc1cc(Cl)cc(NC=CC=[NH+]c2cc(Cl)cc(Cl)c2)c1	ZINC000018252303	570877762	/nfs/dbraw/zinc/87/77/62/570877762.db2.gz	WCKYYJKBGZSGCJ-CKDLINKZSA-N	1	1	360.071	6.628	40	30		FKEBMO
S=C1C=CC(c2cccc([S+](c3ccccc3)c3ccccc3)c2)=CC1	ZINC000064220337	212037428	/nfs/dbraw/zinc/03/74/28/212037428.db2.gz	VUMHPIDXSXUXBH-UHFFFAOYSA-N	1	1	371.550	6.495	40	30		FKEBMO
C[N@H+]1[C@@H](c2ccccc2)CC(=NOCc2ccccc2)C[C@H]1c1ccccc1	ZINC000073257543	571200531	/nfs/dbraw/zinc/20/05/31/571200531.db2.gz	VUCFRUBUXMGNIA-PLQXJYEYSA-N	1	1	370.496	5.767	40	30		FKEBMO
CCCCCCCCCCCCCCCCCc1[nH+]ccn1CCO	ZINC000100307706	519998924	/nfs/dbraw/zinc/99/89/24/519998924.db2.gz	FHQAAMIOVUDAPE-UHFFFAOYSA-N	1	1	350.591	6.289	40	30		FKEBMO
CC(C)(C)[C@](O)(CC#CC[N@H+]1C[C@@]2(C)C[C@@H]1CC(C)(C)C2)c1ccccc1	ZINC000100725830	222250205	/nfs/dbraw/zinc/25/02/05/222250205.db2.gz	FMISKHXPDOXXJM-TUSQITKMSA-N	1	1	367.577	5.214	40	30		FKEBMO
CCCCC[C@H]1/C(=N/O)C[C@@H](c2ccccc2)[N@H+](C)[C@H]1c1ccccc1	ZINC000102121253	222288997	/nfs/dbraw/zinc/28/89/97/222288997.db2.gz	BIMIEBMZQZLFKK-VMFSPHAOSA-N	1	1	350.506	5.831	40	30		FKEBMO
CC(C)(C)[C@](O)(CC#CC[N@H+]1C[C@]2(C)C[C@H]1CC(C)(C)C2)c1ccccc1	ZINC000102676565	571103056	/nfs/dbraw/zinc/10/30/56/571103056.db2.gz	FMISKHXPDOXXJM-SDUSCBPUSA-N	1	1	367.577	5.214	40	30		FKEBMO
CCCCCCCCCC(=O)N1c2ccc(C)cc2[C@@H]2C[N@H+](C)CC[C@H]21	ZINC000102998103	519975640	/nfs/dbraw/zinc/97/56/40/519975640.db2.gz	DDPJQMPWGGYLRI-RBBKRZOGSA-N	1	1	356.554	5.270	40	30		FKEBMO
C(=CNc1ccc(-c2ccccc2)cc1)C=[NH+]c1ccc(-c2ccccc2)cc1	ZINC000104313266	222354993	/nfs/dbraw/zinc/35/49/93/222354993.db2.gz	NMTVOLGEUFUEOW-IGNQMSMHSA-N	1	1	374.487	7.349	40	30		FKEBMO
C(=CNc1ccc(-c2ccccc2)cc1)C=[NH+]c1ccc(-c2ccccc2)cc1	ZINC000104313270	222354937	/nfs/dbraw/zinc/35/49/37/222354937.db2.gz	NMTVOLGEUFUEOW-MMVYTCBNSA-N	1	1	374.487	7.349	40	30		FKEBMO
C(=CNc1ccc(-c2ccccc2)cc1)C=[NH+]c1ccc(-c2ccccc2)cc1	ZINC000104313275	222355340	/nfs/dbraw/zinc/35/53/40/222355340.db2.gz	NMTVOLGEUFUEOW-UIJIQULRSA-N	1	1	374.487	7.349	40	30		FKEBMO
Clc1cc(Cl)cc(NC=CC=[NH+]c2cc(Cl)cc(Cl)c2)c1	ZINC000104313284	570521312	/nfs/dbraw/zinc/52/13/12/570521312.db2.gz	WCKYYJKBGZSGCJ-IZGVBACNSA-N	1	1	360.071	6.628	40	30		FKEBMO
Clc1cc(Cl)cc(NC=CC=[NH+]c2cc(Cl)cc(Cl)c2)c1	ZINC000104313287	222356296	/nfs/dbraw/zinc/35/62/96/222356296.db2.gz	WCKYYJKBGZSGCJ-MOFRGKDSSA-N	1	1	360.071	6.628	40	30		FKEBMO
Clc1cc(Cl)cc(NC=CC=[NH+]c2cc(Cl)cc(Cl)c2)c1	ZINC000104313291	209261191	/nfs/dbraw/zinc/26/11/91/209261191.db2.gz	WCKYYJKBGZSGCJ-AKVOSGIGSA-N	1	1	360.071	6.628	40	30		FKEBMO
CCCCCCCCN1CC[N@@H+](CCCCCCCC)[C@H]2CCCC[C@@H]21	ZINC000104340068	570521262	/nfs/dbraw/zinc/52/12/62/570521262.db2.gz	NZDPNEQUECZGAX-ZEQRLZLVSA-N	1	1	364.662	6.636	40	30		FKEBMO
CCCCCCCC[N@H+](Cc1ccccc1)C[C@@H](O)c1ccc(Cl)cc1	ZINC000104357841	222355994	/nfs/dbraw/zinc/35/59/94/222355994.db2.gz	YYTIOGCYEJOABV-HSZRJFAPSA-N	1	1	373.968	6.236	40	30		FKEBMO
CCCCCCCCCCCCCCCC/[NH+]=C\c1ccc2c(c1)OCO2	ZINC000104364179	519989586	/nfs/dbraw/zinc/98/95/86/519989586.db2.gz	JVIFNTIEDXETDU-QQTULTPQSA-N	1	1	373.581	7.316	40	30		FKEBMO
CCCCCCCCCCCCCCCC/[NH+]=C/c1ccc2c(c1)OCO2	ZINC000104364183	519991400	/nfs/dbraw/zinc/99/14/00/519991400.db2.gz	JVIFNTIEDXETDU-LKUDQCMESA-N	1	1	373.581	7.316	40	30		FKEBMO
Cc1c(/C=[NH+]/CCNc2cccc3ccccc32)c2cccc(C)c2n1C	ZINC000409030250	570714728	/nfs/dbraw/zinc/71/47/28/570714728.db2.gz	DYOCDCSQJAQJEN-PCLIKHOPSA-N	1	1	355.485	5.479	40	30		FKEBMO
CCn1c(C)c(/C=[NH+]/CCNc2cccc3ccccc32)c2cc(C)ccc21	ZINC000409037682	571122316	/nfs/dbraw/zinc/12/23/16/571122316.db2.gz	UHHDMCPCTVGAIK-YZSQISJMSA-N	1	1	369.512	5.962	40	30		FKEBMO
Cc1c(/C=[NH+]/CCNc2cccc3ccccc32)c2cc(C)ccc2n1C	ZINC000409038843	570715163	/nfs/dbraw/zinc/71/51/63/570715163.db2.gz	FTCNYNYHVDAURN-PCLIKHOPSA-N	1	1	355.485	5.479	40	30		FKEBMO
CCn1c(C)c(/C=[NH+]/CCNc2cccc3ccccc32)c2cccc(C)c21	ZINC000409042181	570715404	/nfs/dbraw/zinc/71/54/04/570715404.db2.gz	WQHKHHADRZXUQA-YZSQISJMSA-N	1	1	369.512	5.962	40	30		FKEBMO